N2-(4-azanylcyclohexyl)-9-ethyl-N6-[4-(trifluoromethyl)phenyl]purine-2,6-diamine

Systemtic Name: N2-(4-azanylcyclohexyl)-9-ethyl-N6-[4-(trifluoromethyl)phenyl]purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-9-ethyl-N6-[4-(trifluoromethyl)phenyl]purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-9-ethyl-N6-[4-(trifluoromethyl)phenyl]purine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-9-ethyl-6-N-[4-(trifluoromethyl)phenyl]purine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[9-ethyl-6-[4-(trifluoromethyl)anilino]purin-2-yl]amine Formula: C20H24F3N7 MolecularWeight: 419.44667

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC3=CC=C(C=C3)C(F)(F)F)NC4CCC(CC4)N

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=CC=C(C=C3)C(F)(F)F)NC4CCC(CC4)N

InChI

InChI=1S/C20H24F3N7/c1-2-30-11-25-16-17(26-14-7-3-12(4-8-14)20(21,22)23)28-19(29-18(16)30)27-15-9-5-13(24)6-10-15/h3-4,7-8,11,13,15H,2,5-6,9-10,24H2,1H3,(H2,26,27,28,29)